Tb10Er2CoTc3

高熵材料 HEA

MP-ID: mp-3295799 · Space group: P1 (#1)

Materials Project API

Basic Information

Formula

Tb10Er2CoTc3

MP-ID

mp-3295799

Elements

Sites

Density

8.9866

g/cm³

Volume

420.69

Å³

Cell a

6.3152

Cell b

7.2654

Cell c

9.1689

α Angle

90.00

β Angle

89.73

γ Angle

90.05

Space Group

Point Group

Crystal System

Triclinic

Bravais Lattice

Stability

Yes

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
9.65	9.1688	1.7	(0,0,1)
17.01	5.2124	1.3	(1,0,1)
18.61	4.7682	4.5	(1,-1,0)
18.62	4.7643	5.1	(1,1,0)
19.36	4.5844	3.1	(0,0,2)
20.97	4.2366	3.3	(1,-1,1)
20.98	4.2338	2.7	(1,1,1)
21.03	4.2242	2.8	(1,-1,-1)
21.04	4.2215	2.0	(1,1,-1)
24.50	3.6327	3.3	(0,2,0)
26.39	3.3773	13.5	(0,2,-1)
26.39	3.3772	13.4	(0,2,1)
26.93	3.3107	9.5	(1,-1,2)
26.94	3.3093	8.0	(1,1,2)
27.03	3.2988	9.1	(1,-1,-2)
27.04	3.2976	7.6	(1,1,-2)
28.26	3.1576	8.7	(2,0,0)
28.33	3.1500	21.2	(1,-2,0)
28.35	3.1478	21.9	(1,2,0)
29.97	2.9813	20.1	(1,-2,1)
29.99	2.9793	28.5	(1,2,1)
30.02	2.9769	19.3	(1,-2,-1)
30.04	2.9751	27.8	(1,2,-1)
30.87	2.8968	73.0	(2,-1,0)

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Energy Properties

Formation Energy/atom

-0.09905

eV/atom

Energy/atom

-29.55177

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.5518

eV/atom

Volume/atom

26.29

Å³

c/a Ratio

1.4519

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0283

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.000070

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Tb · 0.625

Element Family

Lanthanide

Solute Fraction

0.375

Interstitial Fraction

0.000

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0408

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6535

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.273%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3372

smaller = more stable mixing

VEC

8.625

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7508

SS Former

Phase Tendency

Related Tasks

Related computation task IDs (1)

aaahfnln

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3295799

Reference Citation

The crystal structure and related material properties of Tb10Er2CoTc3 were obtained from the Materials Project database (MP-ID: mp-3295799, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_Tb10Er2CoTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31522014
_cell_length_b   7.26538099
_cell_length_c   9.16890632
_cell_angle_alpha   90.00170294
_cell_angle_beta   89.72912667
_cell_angle_gamma   90.04726463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb10Er2CoTc3
_chemical_formula_sum   'Tb10 Er2 Co1 Tc3'
_cell_volume   420.68731913
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tb  Tb0  1  0.66476710  0.32775341  0.56593082  1.0
  Tb  Tb1  1  0.83333313  0.82234852  0.93521287  1.0
  Tb  Tb2  1  0.66666413  0.32823744  0.93427677  1.0
  Tb  Tb3  1  0.83123876  0.82223655  0.56392780  1.0
  Tb  Tb4  1  0.32718195  0.67833135  0.43158387  1.0
  Tb  Tb5  1  0.16624112  0.17670374  0.06420817  1.0
  Tb  Tb6  1  0.87160103  0.54570037  0.24917804  1.0
  Tb  Tb7  1  0.62652931  0.04562064  0.25054097  1.0
  Tb  Tb8  1  0.14241767  0.45352609  0.74957388  1.0
  Tb  Tb9  1  0.37337317  0.94599631  0.74974687  1.0
  Er  Er10  1  0.33233918  0.67592719  0.06583627  1.0
  Er  Er11  1  0.16306862  0.17497575  0.43664550  1.0
  Co  Co12  1  0.53318685  0.61397860  0.75738337  1.0
  Tc  Tc13  1  0.03389807  0.88872596  0.24794351  1.0
  Tc  Tc14  1  0.46420973  0.39023733  0.25182711  1.0
  Tc  Tc15  1  0.96995120  0.10969876  0.74618217  1.0

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